1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide

C23H27N5O4S — CID 2465145

IUPAC1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21
InChIInChI=1S/C23H27N5O4S/c1-3-28-16(2)24-20-15-18(10-11-21(20)28)23(30)26-25-22(29)17-8-7-9-19(14-17)33(31,32)27-12-5-4-6-13-27/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFIFLHFIICXETPP-UHFFFAOYSA-N
MW469.57 g/mol
LogP2.61
Rot. Bonds5

About 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide

1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide (PubChem CID 2465145) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
PubChem CID2465145
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21
InChIInChI=1S/C23H27N5O4S/c1-3-28-16(2)24-20-15-18(10-11-21(20)28)23(30)26-25-22(29)17-8-7-9-19(14-17)33(31,32)27-12-5-4-6-13-27/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyFIFLHFIICXETPP-UHFFFAOYSA-N
XLogP2.61
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2102444
methyl 3-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]sulfamoyl]benzoate
CID 31699528
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 34553635
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 17391703
3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
methyl 4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylamino]benzoate
CID 37475473
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide (CID 2465145) is 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide?
The InChIKey is FIFLHFIICXETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-3-28-16(2)24-20-15-18(10-11-21(20)28)23(30)26-25-22(29)17-8-7-9-19(14-17)33(31,32)27-12-5-4-6-13-27/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide has a molecular weight of 469.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-(3-piperidin-1-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide is sourced from PubChem (CID 2465145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).